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5-bromo-2-chloro-pyridin-4-amine
5-bromo-2-chloro-pyridin-4-amine ID: AN-10408
CAS:857730-21-3
Supplier:AN PharmaTech Co Ltd

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SMILES:Brc1c(N)cc(Cl)nc1	37030051
FORMULA: C5H4BrClN2
MASS: 207.4557
EXACT MASS: 205.9246378
INTERATOMIC DISTANCES

             Br   1     Cl   2      N   3      N   4      C   5      C   6
              ------------------------------------------------------------------
  Br   1    0.0000 
  Cl   2    4.0000     0.0000 
   N   3    2.0000     3.4641     0.0000 
   N   4    2.6457     1.7321     3.0000     0.0000 
   C   5    1.7320     2.6458     1.0000     2.0000     0.0000 
   C   6    1.0000     3.0000     1.7320     1.7320     1.0000     0.0000 
   C   7    2.6458     1.7320     1.7321     1.7321     1.0001     1.7321 
   C   8    1.7320     2.6458     2.6457     1.0000     1.7320     1.0000 
   C   9    3.0000     1.0000     2.6458     1.0001     1.7321     2.0000 
   H  10    3.1408     1.8397     1.8397     2.2901     1.4158     2.2901 
   H  11    1.8397     3.1408     3.1407     1.4157     2.2900     1.4158 
   H  12    2.6200     3.5191     0.6201     3.3533     1.4158     2.2901 
   H  13    1.7732     4.0130     0.6200     3.3533     1.4158     1.8397 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.0000     0.0000 
   C   9    1.0000     1.7321     0.0000 
   H  10    0.6200     2.6200     1.4158     0.0000 
   H  11    2.6200     0.6200     2.2901     3.2400     0.0000 
   H  12    1.8397     3.1408     2.8292     1.7320     3.6739     0.0000 
   H  13    2.2901     2.8292     3.1408     2.4522     3.2380     1.0739 

              H  13
              -----------
   H  13    0.0000 



ATOMIC CHARGES
  Br   1   -0.0468247745
  Cl   2   -0.0619648943
   N   3   -0.3569971463
   N   4   -0.2423303065
   C   5    0.0430428668
   C   6    0.0566262563
   C   7   -0.0030553107
   C   8    0.0449624921
   C   9    0.1310126836
   H  10    0.0666432836
   H  11    0.0841766891
   H  12    0.1423540804
   H  13    0.1423540804


BOND ANGLES
   5    3   12  Car  Npl   HC    119.997
   5    3   13  Car  Npl   HC    120.002
  12    3   13   HC  Npl   HC    120.001
   8    4    9  Car  Nar  Car    120.001
   3    5    6  Npl  Car  Car    120.001
   3    5    7  Npl  Car  Car    119.998
   6    5    7  Car  Car  Car    120.001
   1    6    5   Br  Car  Car    119.999
   1    6    8   Br  Car  Car    120.001
   5    6    8  Car  Car  Car    120.001
   5    7    9  Car  Car  Car    119.998
   5    7   10  Car  Car   HC    120.000
   9    7   10  Car  Car   HC    120.002
   4    8    6  Nar  Car  Car    120.001
   4    8   11  Nar  Car   HC    119.998
   6    8   11  Car  Car   HC    120.002
   2    9    4   Cl  Car  Nar    120.001
   2    9    7   Cl  Car  Car    120.001
   4    9    7  Nar  Car  Car    119.998


TORSION ANGLES
  12    3    5    6    179.974
  12    3    5    7      0.026
  13    3    5    6      0.026
  13    3    5    7    179.974
   9    4    8    6      0.026
   9    4    8   11    179.974
   8    4    9    2    179.974
   8    4    9    7      0.026
   3    5    6    1      0.026
   3    5    6    8    179.974
   7    5    6    1    179.974
   7    5    6    8      0.026
   3    5    7    9    179.974
   3    5    7   10      0.026
   6    5    7    9      0.026
   6    5    7   10    179.974
   1    6    8    4    179.974
   1    6    8   11      0.026
   5    6    8    4      0.026
   5    6    8   11    179.974
   5    7    9    2    179.974
   5    7    9    4      0.026
  10    7    9    2      0.026
  10    7    9    4    179.974